المؤلفون: Holowinski P; Faculty of Chemistry, Department of Chromatography, Institute of Chemical Sciences, Maria Curie Sklodowska University in Lublin, 20-031, Lublin, Poland., Dybowski MP; Faculty of Chemistry, Department of Chromatography, Institute of Chemical Sciences, Maria Curie Sklodowska University in Lublin, 20-031, Lublin, Poland. m_dybowski@interia.pl.

المصدر: Forensic toxicology [Forensic Toxicol] 2024 Jul; Vol. 42 (2), pp. 111-124. Date of Electronic Publication: 2023 Dec 18.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Japanese Association of Forensic Toxicology Country of Publication: Japan NLM ID: 101315563 Publication Model: Print-Electronic Cited Medium: Print ISSN: 1860-8965 (Print) Linking ISSN: 18608965 NLM ISO Abbreviation: Forensic Toxicol Subsets: MEDLINE

مواضيع طبية MeSH: Molecular Docking Simulation* , Protein Binding* , Magnetic Resonance Spectroscopy*/methods , Ultrafiltration*, Humans ; Binding Sites ; Molecular Dynamics Simulation ; Gas Chromatography-Mass Spectrometry ; Tandem Mass Spectrometry ; Propiophenones/chemistry ; Propiophenones/metabolism ; Serum Albumin, Human/chemistry ; Serum Albumin, Human/metabolism ; Blood Proteins/metabolism ; Blood Proteins/chemistry

المؤلفون: Bogdanova EA; Faculty of Biology, Lomonosov Moscow State University, Moscow, Russia., Novoseletsky VN; Faculty of Biology, Shenzhen MSU-BIT University, Shenzhen, China.

المصدر: Proteins [Proteins] 2024 Sep; Vol. 92 (9), pp. 1127-1136. Date of Electronic Publication: 2024 May 09.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Wiley-Liss Country of Publication: United States NLM ID: 8700181 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1097-0134 (Electronic) Linking ISSN: 08873585 NLM ISO Abbreviation: Proteins Subsets: MEDLINE

مواضيع طبية MeSH: Proteins*/chemistry , Proteins*/metabolism , Neural Networks, Computer* , Protein Binding* , Algorithms*, Thermodynamics ; Databases, Protein ; Computational Biology/methods ; Binding Sites ; Protein Interaction Mapping/methods

المؤلفون: Sampson JM; Schrödinger, Inc., Life Sciences Software, New York, NY, USA., Cannon DA; Schrödinger, GmbH, Life Sciences Software, Mannheim, Germany., Duan J; Schrödinger, GmbH, Life Sciences Software, Mannheim, Germany., Epstein JCK; Schrödinger, Inc., Life Sciences Software, New York, NY, USA., Sergeeva AP; Columbia University, Department of Systems Biology, New York, NY, USA., Katsamba PS; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA., Mannepalli SM; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA., Bahna FA; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA., Adihou H; AstraZeneca, Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism, BioPharmaceuticals R&D, Gothenburg, Sweden; Max Planck Institute of Molecular Physiology, AstraZeneca-MPI Satellite Unit, Dortmund, Germany., Guéret SM; AstraZeneca, Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism, BioPharmaceuticals R&D, Gothenburg, Sweden; Max Planck Institute of Molecular Physiology, AstraZeneca-MPI Satellite Unit, Dortmund, Germany., Gopalakrishnan R; AstraZeneca, Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism, BioPharmaceuticals R&D, Gothenburg, Sweden; Max Planck Institute of Molecular Physiology, AstraZeneca-MPI Satellite Unit, Dortmund, Germany., Geschwindner S; AstraZeneca, Mechanistic and Structural Biology, Discovery Sciences, R&D, Gothenburg, Sweden., Rees DG; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., Sigurdardottir A; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., Wilkinson T; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., Dodd RB; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., De Maria L; AstraZeneca, Medicinal Chemistry, Research and Early Development, Respiratory and Immunology, BioPharmaceuticals R&D, Gothenburg, Sweden., Mobarec JC; AstraZeneca, Mechanistic and Structural Biology, Discovery Sciences, R&D, Cambridge, UK., Shapiro L; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA; Columbia University, Department of Biochemistry and Molecular Biophysics, New York, NY, USA., Honig B; Columbia University, Department of Systems Biology, New York, NY, USA; Columbia University, Zuckerman Mind Brain Behavior Institute, New York, NY, USA; Columbia University, Department of Biochemistry and Molecular Biophysics, New York, NY, USA; Columbia University, Department of Medicine, New York, NY, USA., Buchanan A; AstraZeneca, Biologics Engineering, R&D, Cambridge, UK., Friesner RA; Columbia University, Department of Chemistry, New York, NY, USA. Electronic address: raf8@columbia.edu., Wang L; Schrödinger, Inc., Life Sciences Software, New York, NY, USA. Electronic address: lingle.wang@schrodinger.com.

المصدر: Journal of molecular biology [J Mol Biol] 2024 Aug 15; Vol. 436 (16), pp. 168640. Date of Electronic Publication: 2024 Jun 04.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 2985088R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1089-8638 (Electronic) Linking ISSN: 00222836 NLM ISO Abbreviation: J Mol Biol Subsets: MEDLINE

مواضيع طبية MeSH: Thermodynamics* , Protein Binding* , Proteins*/metabolism , Proteins*/chemistry , Proteins*/genetics, Mutation ; Point Mutation ; Protein Conformation ; Computational Biology/methods ; Models, Molecular

المؤلفون: Li K; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Parker H. Petit Institute for Bioengineering and Biosciences, Atlanta, GA, USA.; Shennon Biotechnologies, San Francisco, CA, USA., Cardenas-Lizana P; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Parker H. Petit Institute for Bioengineering and Biosciences, Atlanta, GA, USA.; Department of Bioengineering and Chemical Engineering, University of Engineering and Technology-UTEC, Lima, Peru., Lyu J; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Parker H. Petit Institute for Bioengineering and Biosciences, Atlanta, GA, USA.; L.E.K. consulting, Boston, MA, USA., Kellner AV; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Elephas, Madison, WI, USA., Li M; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Parker H. Petit Institute for Bioengineering and Biosciences, Atlanta, GA, USA., Cong P; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Parker H. Petit Institute for Bioengineering and Biosciences, Atlanta, GA, USA., Watson VE; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Parker H. Petit Institute for Bioengineering and Biosciences, Atlanta, GA, USA., Yuan Z; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Parker H. Petit Institute for Bioengineering and Biosciences, Atlanta, GA, USA.; George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA.; Alfred E. Mann Department of Biomedical Engineering, University of Southern California, Los Angeles, CA, USA., Ahn E; Emory Vaccine Center, Atlanta, GA, USA.; Department of Microbiology and Immunology, Emory University School of Medicine, Atlanta, GA, USA.; Merck, South San Francisco, CA, USA., Doudy L; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Parker H. Petit Institute for Bioengineering and Biosciences, Atlanta, GA, USA., Li Z; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA.; School of Mechanics and Engineering Science, Shanghai University, Shanghai, China., Salaita K; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA.; Department of Chemistry, Emory University, Atlanta, GA, 30322, USA., Ahmed R; Emory Vaccine Center, Atlanta, GA, USA.; Department of Microbiology and Immunology, Emory University School of Medicine, Atlanta, GA, USA., Zhu C; Wallace H. Coulter Department of Biomedical Engineering, Atlanta, GA, USA. cheng.zhu@bme.gatech.edu.; Parker H. Petit Institute for Bioengineering and Biosciences, Atlanta, GA, USA. cheng.zhu@bme.gatech.edu.; George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA. cheng.zhu@bme.gatech.edu.

المصدر: Nature communications [Nat Commun] 2024 Sep 27; Vol. 15 (1), pp. 8339. Date of Electronic Publication: 2024 Sep 27.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE

مواضيع طبية MeSH: Programmed Cell Death 1 Receptor*/metabolism , Programmed Cell Death 1 Receptor*/chemistry , Programmed Cell Death 1 Receptor*/genetics , B7-H1 Antigen*/metabolism , B7-H1 Antigen*/chemistry , Protein Binding* , Programmed Cell Death 1 Ligand 2 Protein*/metabolism , Programmed Cell Death 1 Ligand 2 Protein*/chemistry , Programmed Cell Death 1 Ligand 2 Protein*/genetics , Molecular Dynamics Simulation*, Humans ; Ligands ; Signal Transduction ; Mutation ; Animals ; T-Lymphocytes/metabolism ; HEK293 Cells

المؤلفون: Dunce JM; Department of Biochemistry, University of Cambridge, Cambridge, UK., Davies OR; Wellcome Centre for Cell Biology, Institute of Cell Biology, University of Edinburgh, Michael Swann Building, Max Born Crescent, Edinburgh, UK. owen.davies@ed.ac.uk.

المصدر: Nature communications [Nat Commun] 2024 Sep 27; Vol. 15 (1), pp. 8292. Date of Electronic Publication: 2024 Sep 27.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE

مواضيع طبية MeSH: Rad51 Recombinase*/metabolism , Rad51 Recombinase*/chemistry , BRCA2 Protein*/metabolism , BRCA2 Protein*/chemistry , BRCA2 Protein*/genetics , Cell Cycle Proteins*/metabolism , Cell Cycle Proteins*/chemistry , Cell Cycle Proteins*/genetics , DNA-Binding Proteins*/metabolism , DNA-Binding Proteins*/chemistry , DNA-Binding Proteins*/genetics , Protein Binding*, Humans ; Nucleoproteins/metabolism ; Nucleoproteins/chemistry ; Nucleoproteins/genetics ; Crystallography, X-Ray ; Meiosis ; Binding Sites ; Amino Acid Motifs ; Models, Molecular ; Mitosis

المؤلفون: Harris SE; Department of Biochemistry and Biophysics, University of North Carolina, Chapel Hill, NC, USA.; Department of Pharmacology, University of North Carolina, Chapel Hill, NC, USA., Alexis MS; Department of Biology, Massachusetts Institute of Technology, Cambridge, MA, USA.; Remix Therapeutics, Cambridge, MA, USA., Giri G; Department of Pharmacology, University of North Carolina, Chapel Hill, NC, USA.; Curriculum in Bioinformatics and Computational Biology, University of North Carolina, Chapel Hill, NC, USA., Cavazos FF Jr; Department of Pharmacology, University of North Carolina, Chapel Hill, NC, USA., Hu Y; Department of Pharmacology, University of North Carolina, Chapel Hill, NC, USA., Murn J; Department of Biochemistry, University of California, Riverside, CA, USA.; Center for RNA Biology and Medicine, Riverside, CA, USA., Aleman MM; Department of Pharmacology, University of North Carolina, Chapel Hill, NC, USA., Burge CB; Department of Biology, Massachusetts Institute of Technology, Cambridge, MA, USA., Dominguez D; Department of Biochemistry and Biophysics, University of North Carolina, Chapel Hill, NC, USA. didoming@email.unc.edu.; Department of Pharmacology, University of North Carolina, Chapel Hill, NC, USA. didoming@email.unc.edu.; Curriculum in Bioinformatics and Computational Biology, University of North Carolina, Chapel Hill, NC, USA. didoming@email.unc.edu.; RNA Discovery Center, University of North Carolina, Chapel Hill, NC, USA. didoming@email.unc.edu.

المصدر: Nature communications [Nat Commun] 2024 Sep 27; Vol. 15 (1), pp. 8400. Date of Electronic Publication: 2024 Sep 27.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE

مواضيع طبية MeSH: Species Specificity* , RNA-Binding Proteins*/metabolism , RNA-Binding Proteins*/genetics , Protein Binding* , RNA, Messenger*/metabolism , RNA, Messenger*/genetics, Animals ; Mice ; Humans ; Binding Sites ; Conserved Sequence ; RNA/metabolism ; RNA/genetics ; Gene Expression Regulation

المؤلفون: Liu S; School of Mathematics & Physics, Hebei University of Engineering, Handan 056038, China., Hao X; Medical College, Hebei University of Engineering, Handan 056038, China., Miao D; School of Mathematics & Physics, Hebei University of Engineering, Handan 056038, China., Zhang Y; School of Mathematics & Physics, Hebei University of Engineering, Handan 056038, China.

المصدر: The journal of physical chemistry. B [J Phys Chem B] 2024 Sep 26; Vol. 128 (38), pp. 9074-9085. Date of Electronic Publication: 2024 Sep 14.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE

مواضيع طبية MeSH: Molecular Dynamics Simulation* , RNA-Binding Proteins*/chemistry , RNA-Binding Proteins*/metabolism , RNA-Binding Proteins*/genetics , Membrane Proteins*/chemistry , Membrane Proteins*/genetics , Membrane Proteins*/metabolism , Endonucleases*/chemistry , Endonucleases*/metabolism , Endonucleases*/genetics , Mutation* , Protein Binding*, Humans ; Static Electricity ; Binding Sites ; Cell Adhesion Molecules/chemistry ; Cell Adhesion Molecules/genetics ; Cell Adhesion Molecules/metabolism ; Hydrogen Bonding ; Thermodynamics ; Peptides/chemistry ; Peptides/metabolism ; Peptides/genetics

المؤلفون: Robinson MA; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Kennedy A; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Orozco CT; Biologics Engineering, R&D, AstraZeneca, 1, Francis Crick Avenue Cambridge CB2 0AA, UK., Chen HC; Early Oncology ICC, R&D, AstraZeneca, 1, Francis Crick Avenue, Cambridge CB2 0AA, UK., Waters E; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Giovacchini D; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Yeung K; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Filer L; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Hinze C; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK., Lloyd C; Biologics Engineering, R&D, AstraZeneca, 1, Francis Crick Avenue Cambridge CB2 0AA, UK., Dovedi SJ; Early Oncology ICC, R&D, AstraZeneca, 1, Francis Crick Avenue, Cambridge CB2 0AA, UK., Sansom DM; Institute of Immunity and Transplantation, Pears Building, Rowland Hill St, London NW3 2PP, UK. Electronic address: d.sansom@ucl.ac.uk.

المصدر: Cell reports [Cell Rep] 2024 Sep 24; Vol. 43 (9), pp. 114768. Date of Electronic Publication: 2024 Sep 14.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Cell Press Country of Publication: United States NLM ID: 101573691 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2211-1247 (Electronic) NLM ISO Abbreviation: Cell Rep Subsets: MEDLINE

مواضيع طبية MeSH: B7-1 Antigen*/metabolism , CTLA-4 Antigen*/metabolism , B7-H1 Antigen*/metabolism , Protein Binding*, Humans ; Animals ; Endocytosis ; Mice

المؤلفون: Tsai HC; TandemAI, New York, New York 10036, United States.; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States., Xu J; TandemAI, New York, New York 10036, United States., Guo Z; TandemAI, New York, New York 10036, United States., Yi Y; TandemAI, New York, New York 10036, United States., Tian C; TandemAI, New York, New York 10036, United States., Que X; TandemAI, New York, New York 10036, United States., Giese T; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States., Lee TS; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States., York DM; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine, and Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United States., Ganguly A; TandemAI, New York, New York 10036, United States., Pan A; TandemAI, New York, New York 10036, United States.

المصدر: Journal of chemical information and modeling [J Chem Inf Model] 2024 Sep 23; Vol. 64 (18), pp. 7046-7055. Date of Electronic Publication: 2024 Sep 03.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

مواضيع طبية MeSH: Thermodynamics* , Proteins*/chemistry , Proteins*/metabolism , Protein Binding*, Ligands ; Molecular Dynamics Simulation ; Small Molecule Libraries/chemistry ; Small Molecule Libraries/metabolism ; Drug Discovery/methods

المؤلفون: Damberger FF; Institute of Biochemistry, ETH Zurich, 8093 Zurich, Switzerland.; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland., Krepl M; Institute of Biophysics of the Czech Academy of Sciences, Kralovopolska 135, Brno 612 00, Czech Republic., Arora R; Institute of Biochemistry, ETH Zurich, 8093 Zurich, Switzerland., Beusch I; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland., Maris C; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland., Dorn G; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland., Šponer J; Institute of Biophysics of the Czech Academy of Sciences, Kralovopolska 135, Brno 612 00, Czech Republic., Ravindranathan S; Central NMR Facility, CSIR-National Chemical Laboratory, Pune 411008, India., Allain FH; Institute of Biochemistry, ETH Zurich, 8093 Zurich, Switzerland.; Department of Biology, ETH Zurich, 8093 Zurich, Switzerland.

المصدر: Nucleic acids research [Nucleic Acids Res] 2024 Sep 23; Vol. 52 (17), pp. 10683-10704.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Oxford University Press Country of Publication: England NLM ID: 0411011 Publication Model: Print Cited Medium: Internet ISSN: 1362-4962 (Electronic) Linking ISSN: 03051048 NLM ISO Abbreviation: Nucleic Acids Res Subsets: MEDLINE

مواضيع طبية MeSH: Polypyrimidine Tract-Binding Protein*/metabolism , Polypyrimidine Tract-Binding Protein*/chemistry , RNA*/chemistry , RNA*/metabolism , Protein Binding*, Humans ; Molecular Dynamics Simulation ; Protein Domains ; RNA Recognition Motif ; Allosteric Regulation ; Protein Folding ; Nucleic Acid Conformation ; Binding Sites